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88145-07-7 | 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-undecyl-
CAS No: 88145-07-7 Catalog No: AG004D8D MDL No:
Product Description
Catalog Number:
AG004D8D
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-undecyl-
CAS Number:
88145-07-7
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
IUPAC Name:
2,3-dimethoxy-5-methyl-6-undecylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C20H32O4/c1-5-6-7-8-9-10-11-12-13-14-16-15(2)17(21)19(23-3)20(24-4)18(16)22/h5-14H2,1-4H3
InChI Key:
SVIRYYMPCWPXBP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OC
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.23g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.472g/mol
Monoisotopic Mass:
336.23g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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